1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone

C21H25NO3 — CID 110706988

IUPAC1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CC(C)OC(Cc3ccccc3)C2)c1
InChIInChI=1S/C21H25NO3/c1-16-14-22(15-20(25-16)11-17-7-4-3-5-8-17)21(23)13-18-9-6-10-19(12-18)24-2/h3-10,12,16,20H,11,13-15H2,1-2H3
InChIKeyILCDDPDWEODEEI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.10
Rot. Bonds5

About 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone

1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone (PubChem CID 110706988) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
PubChem CID110706988
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CC(C)OC(Cc3ccccc3)C2)c1
InChIInChI=1S/C21H25NO3/c1-16-14-22(15-20(25-16)11-17-7-4-3-5-8-17)21(23)13-18-9-6-10-19(12-18)24-2/h3-10,12,16,20H,11,13-15H2,1-2H3
InChIKeyILCDDPDWEODEEI-UHFFFAOYSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 47914001
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
CID 110644156
benzyl 2-benzyl-6-methylmorpholine-4-carboxylate
CID 110644179
1-[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone
CID 133140414
1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide
CID 136532081
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 121093062
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 114781425
(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
CID 110644128
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584
1,3-benzodioxol-5-yl-(2-benzyl-6-methylmorpholin-4-yl)methanone
CID 110644171

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone (CID 110706988) is 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CC(C)OC(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is ILCDDPDWEODEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16-14-22(15-20(25-16)11-17-7-4-3-5-8-17)21(23)13-18-9-6-10-19(12-18)24-2/h3-10,12,16,20H,11,13-15H2,1-2H3.
What are the key properties of 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone?
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 339.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 110706988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).